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5-[2-(Ethylsulfanyl)propyl]-2-[1-(1-pyrrolidinyl)butylidene]-1,3-cyclohexanedione
SpectraBase Compound ID CWqcS608eHg
InChI InChI=1S/C19H31NO2S/c1-4-8-16(20-9-6-7-10-20)19-17(21)12-15(13-18(19)22)11-14(3)23-5-2/h14-15H,4-13H2,1-3H3/b19-16-
InChIKey FYRNLYAWMQKHCA-MNDPQUGUSA-N
Mol Weight 337.52 g/mol
Molecular Formula C19H31NO2S
Exact Mass 337.20755 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JyCwWKyLsGi
Name 5-[2-(Ethylsulfanyl)propyl]-2-[1-(1-pyrrolidinyl)butylidene]-1,3-cyclohexanedione
Alternate Name(s) Cyclohexane-1,3-dione, 5-(2-ethylthio)propyl-2-[1-(1-pyrrolidinyl)butylidene]-
CAS Registry Number 331985-96-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H31NO2S
InChI InChI=1S/C19H31NO2S/c1-4-8-16(20-9-6-7-10-20)19-17(21)12-15(13-18(19)22)11-14(3)23-5-2/h14-15H,4-13H2,1-3H3/b19-16-
InChIKey FYRNLYAWMQKHCA-MNDPQUGUSA-N
Molecular Weight 337.522 g/mol
SMILES C1C(CC(C(C1=O)=C(CCC)N1CCCC1)=O)CC(C)SCC
SPLASH splash10-0006-2492000000-1754194df6d378ca225d
Source of Spectrum AD-0-2532-0
Wiley ID 1426341